Компьютерное исследование применимости силицена в электрохимических устройствах

科研成果: Article

摘要

Novel anode materials made of silicene on metal substrates are studied by molecular dynamics. Ni(111) and Cu(111) substrates are most preferable in terms of higher anode's occupancy and mechanical strength. The highest crystallinity degree is exhibited by the lithium packing in the silicene channel on the Ag(111) substrate. The lowest local normal stresses appear in the walls of the channel on the Al(111) substrate. The voltage profile is built as a function of concentration of Li adsorbed on free-standing bilayer silicene.
投稿的翻译标题Computer study of silicene applicability in electrochemical devices
源语言Russian
页(从-至)691-700
页数10
期刊Журнал структурной химии
61
4
DOI
Published - 2020

GRNTI

  • 29.00.00 PHYSICS

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